OEGetLipinskiDonorCount

OEGetLipinskiDonorCount(mol: Union[OEGraphMol,OEMol,OEQMol]) -> int

Returns the number of donors in a molecule based on the definition from the work of Lipinski ([Lipinski-1997]). It is defined to be the number of nitrogens and oxygens with at least one hydrogen attached.

See also

• OEGetLipinskiAcceptorCount function

• OEGetHBondDonorCount function

• Lipinski and Hydrogen Bonds section

• Lipinski Donors subsection describing filter files

Example

The OEGetLipinskiDonorCount function returns 2 for the molecule below.